Consensus flow list

L-alanine

fo-da2e7e1d381874e1

Identity

Type
Neutral molecule
CAS
56-41-7
EC
200-273-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for L-alanine

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QNAYBMKLOCPYGJ-REOHCLBHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@H](N)C(=O)O
IUPAC name chemrof:IUPAC_name L-alanine
Molecular formula chemrof:molecular_formula C3H7NO2
Molecular mass chemrof:molecular_mass 89.094
Monoisotopic mass chemrof:monoisotopic_mass 89.047678, 89.04768
SMILES string chemrof:smiles_string CC(N)C(=O)O

Known URLs

40

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25191-17-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=56-41-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16977 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.249 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20873899 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00160 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00160 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4255 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4255 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL279597 enrich_references.pubchem_identifier_url
ecmdb ecmdb:ECMDB00161 enrich_references.chebi_xrefs
gmelin gmelin:49628 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OF5P57N2ZX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000161 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2922.49.49.10 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.168E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00041 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00012 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00041 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00012 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001332 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=122861 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37109 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=ALPHA-ALANINE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29605 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:ALA_LFOH enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA448055 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/G5LBCJF3K3WF enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL279597 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5950 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=071780 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18235971 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22735334 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3275662 enrich_references.chebi_xrefs
reaxys reaxys:1720248 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/426 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q106345485 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q218642 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Alanine enrich_references.chebi_xrefs
ymdb ymdb:YMDB00154 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c750de81-34f2-4a60-869b-5eedc497c8c5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
303a43ec-272d-4cec-b6a1-d4a6c4d33a31 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3e0cb21a-f7d0-44de-872a-cd2af89c9312 Environmental → Air → Indoor EF 3.1 kg 4
4619a5b4-8647-476f-a2a0-1069c71ef22b Environmental → Air → Long-term EF 3.1 kg 0
e9ddcd73-2688-47d8-bdae-1ed4cf69e7ae Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
94d36e98-3191-4518-a465-9b5e20b30c69 Environmental → Air → Unknown EF 3.1 kg 4
f2696170-2490-4ef4-b16b-aabb806dffbc Environmental → Ground → Agricultural EF 3.1 kg 4
5b56a09d-c1b0-4338-8879-19afadbcdc21 Environmental → Ground → Non-agricultural EF 3.1 kg 4
45a8af0c-c7ab-4fca-a02a-cdb5fc3a949c Environmental → Ground → Unknown EF 3.1 kg 4
c4738530-5187-4181-840f-e4f791e12bfb Environmental → Water → Long-term EF 3.1 kg 0
cfa57448-83d8-4218-a923-857ca2609fce Environmental → Water → Ocean EF 3.1 kg 4
164eb3e8-2c79-4ab3-8daa-07ff9b7fba04 Environmental → Water → Surface water EF 3.1 kg 4
0f6b7ad7-f74a-457b-a3c0-7d8af9bc9fd2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-da2e7e1d381874e1",
  "prefLabel": [
    {
      "@value": "L-alanine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2S)-2-aminopropanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2S)-2-Azaniumylpropanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(S)-2-aminopropanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "12: PN: WO2022187968 SEQID: 12 claimed protein",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Aminopropionic acid",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "334: PN: WO2025117649 SEQID: 343 sequence",
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      }
    },
    {
      "@value": "364: PN: US20220128567 SEQID: 535 claimed protein",
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    },
    {
      "@value": "364: PN: US20220178935 SEQID: 535 claimed protein",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "519: PN: WO2022056313 SEQID: 535 claimed protein",
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      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "533: PN: WO2023172654 SEQID: 535 claimed sequence",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "8: PN: WO2021055880 SEQID: 9 claimed protein",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16977"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ala",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_16977"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ALANINE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16977"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Alanine, L-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-(+)-Alanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-2-Aminopropanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-2-Aminopropionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16977"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-Alanin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16977"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-alpha-Alanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16977"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-α-Alanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-α-Aminopropionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lactamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D000409",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2-amino-, (S)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Alanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Aminopropionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:56-41-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=56-41-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H7NO2"
      ],
      "attested_by": {
        "C3H7NO2": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(N)C(=O)O"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "semantic_typing.classify",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
        }
      ],
      "attested_by": {
        "C[C@H](N)C(=O)O": [
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1"
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  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "The L-enantiomer of alanine.",
      "@language": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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